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The goal of the paper is to automatize the selection of mechanisms which are able to describe a set of measurements. In order to do so first we construct a set of possible mechanism fulfilling chemically reasonable requirements with a given…

数值分析 · 数学 2019-04-03 Tibor Nagy , János Tóth , Tamás Ladics

Cell complexes (CCs) are a higher-order network model deeply rooted in algebraic topology that has gained interest in signal processing and network science recently. However, while the processing of signals supported on CCs can be described…

信号处理 · 电气工程与系统科学 2025-06-12 Josef Hoppe , Vincent P. Grande , Michael T. Schaub

The term life sciences refers to the disciplines that study living organisms and life processes, and include chemistry, biology, medicine, and a range of other related disciplines. Research efforts in life sciences are heavily data-driven,…

In a previous paper the authors applied the Abstract Interpretation approach for approximating the probabilistic semantics of biological systems, modeled specifically using the Chemical Ground Form calculus. The methodology is based on the…

计算机科学中的逻辑 · 计算机科学 2009-12-01 Roberta Gori , Francesca Levi

Graph-based semantic representations are valuable in natural language processing, where it is often simple and effective to represent linguistic concepts as nodes, and relations as edges between them. Several attempts has been made to find…

形式语言与自动机理论 · 计算机科学 2021-05-10 Johanna Björklund , Frank Drewes , Anna Jonsson

Symbolic models are abstract descriptions of continuous systems in which symbols represent aggregates of continuous states. In the last few years there has been a growing interest in the use of symbolic models as a tool for mitigating…

最优化与控制 · 数学 2007-07-31 Giordano Pola , Paulo Tabuada

As dynamic and control systems become more complex, relying purely on numerical computations for systems analysis and design might become extremely expensive or totally infeasible. Computer algebra can act as an enabler for analysis and…

系统与控制 · 计算机科学 2018-01-01 Masoud Abbaszadeh

When designing new molecules with particular properties, it is not only important what to make but crucially how to make it. These instructions form a synthesis directed acyclic graph (DAG), describing how a large vocabulary of simple…

The assumed causal relationships depicted in a DAG are interpreted using a set of rules called D-separation rules. Although these rules can be implemented automatically using standard software, at least a basic understanding of their…

统计方法学 · 统计学 2025-02-20 Fernando Pires Hartwig , Timothy Feeney , Neil Davies

It is fundamental for science and technology to be able to predict chemical reactions and their properties. To achieve such skills, it is important to develop good representations of chemical reactions, or good deep learning architectures…

机器学习 · 计算机科学 2022-01-05 Mohammadamin Tavakoli , Alexander Shmakov , Francesco Ceccarelli , Pierre Baldi

Graphs are used to represent and analyze data in domains as diverse as physics, biology, chemistry, planetary science, and the social sciences. Across domains, random graph models relate generative processes to expected graph properties,…

物理与社会 · 物理学 2025-09-12 Cole Mathis , Harrison B. Smith

Abstract separation systems provide a simple general framework in which both tree-shape and high cohesion of many combinatorial structures can be expressed, and their duality proved. Applications range from tangle-type duality and tree…

组合数学 · 数学 2017-04-19 Reinhard Diestel

P-systems are abstract computational models inspired by the phospholipid bilayer membranes generated by biological cells. Illustrated here is a mechanism by which recursive liposome structures (multivesicular liposomes) may be…

新兴技术 · 计算机科学 2019-05-14 Richard Mayne , Neil Phillips , Andrew Adamatzky

Analysis of chemical graphs is a major research topic in computational molecular biology due to its potential applications to drug design. One approach is inverse quantitative structure activity/property relationship (inverse QSAR/QSPR)…

数据结构与算法 · 计算机科学 2020-09-22 Naveed Ahmed Azam , Jianshen Zhu , Yanming Sun , Yu Shi , Aleksandar Shurbevski , Liang Zhao , Hiroshi Nagamochi , Tatsuya Akutsu

An Abstract Graph Machine(AGM) is an abstract model for distributed memory parallel stabilizing graph algorithms. A stabilizing algorithm starts from a particular initial state and goes through series of different state changes until it…

分布式、并行与集群计算 · 计算机科学 2016-04-29 Thejaka Amila Kanewala , Marcin Zalewski , Andrew Lumsdaine

Biological processes underlying the basic functions of a cell involve complex interactions between genes. From a technical point of view, these interactions can be represented through a graph where genes and their connections are,…

统计方法学 · 统计学 2020-11-24 Thi Kim Hue Nguyen , Monica Chiogna

In living systems, we often see the emergence of the ingredients necessary for computation -- the capacity for information transmission, storage, and modification -- begging the question of how we may exploit or imitate such biological…

神经元与认知 · 定量生物学 2020-09-11 Kristine Heiney , Gunnar Tufte , Stefano Nichele

We propose a process calculus, named AbC, to study the behavioural theory of interactions in collective-adaptive systems by relying on attribute-based communication. An AbC system consists of a set of parallel components each of which is…

计算机科学中的逻辑 · 计算机科学 2018-07-31 Yehia Abd Alrahman , Rocco De Nicola , Michele Loreti

Thermodynamic aspects of chemical reactions have a long history in the Physical Chemistry literature. In particular, biochemical cycles - the building-blocks of biochemical systems - require a source of energy to function. However, although…

定量方法 · 定量生物学 2018-08-14 Peter J. Gawthrop , Edmund J. Crampin

We introduce the AutoGRAMS framework for programming multi-step interactions with language models. AutoGRAMS represents AI agents as a graph, where each node can execute either a language modeling instruction or traditional code. Likewise,…

计算与语言 · 计算机科学 2024-07-16 Ben Krause , Lucia Chen , Emmanuel Kahembwe